2-{[acetyl(propan-2-yl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(propan-2-yl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[acetyl(propan-2-yl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-5416 |
| Compound Name: | 2-{[acetyl(propan-2-yl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C19 H20 F3 N O4 S |
| Smiles: | CC(C)N(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9674 |
| logD: | 3.9674 |
| logSw: | -4.0983 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.781 |
| InChI Key: | UQTNOLJRTLFPDZ-UHFFFAOYSA-N |